ChemFOnt: Showing chemical card for Serylvaline (CFc000010305)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:42 UTC

Chemfont ID

CFc000010305

Molecule Identification

Common Name

Serylvaline

Definition

Serylvaline is a dipeptide composed of serine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
L-Ser-L-val	ChEBI
Serinyl-valine	ChEBI
SV	ChEBI
L-Seryl-L-valine	HMDB
N-L-Seryl-L-valine	HMDB
N-Serylvaline	HMDB
S-V Dipeptide	HMDB
SV Dipeptide	HMDB
Ser-val	HMDB
Serine valine dipeptide	HMDB
Serine-valine dipeptide	HMDB
Serinylvaline	HMDB
Seryl-valine	HMDB
Serylvaline	ChEBI

Chemical Formula

C₈H₁₆N₂O₄

Average Molecular Weight

204.226

Monoisotopic Molecular Weight

204.111007003

IUPAC Name

(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanoic acid

CAS Registry Number

51782-06-0

SMILES

CC(C)[C@H](NC(=O)[C@@H](N)CO)C(O)=O

InChI Identifier

InChI=1S/C8H16N2O4/c1-4(2)6(8(13)14)10-7(12)5(9)3-11/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1

InChI Key

ILVGMCVCQBJPSH-WDSKDSINSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Valine or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Serine or derivatives
Alpha-amino acid or derivatives
Branched fatty acid
Hydroxy fatty acid
Methyl-branched fatty acid
Fatty acid
Fatty acyl
Carboxylic acid salt
Secondary carboxylic acid amide
Amino acid or derivatives
Amino acid
Carboxamide group
Carboxylic acid
Monocarboxylic acid or derivatives
Alcohol
Organonitrogen compound
Organooxygen compound
Primary alcohol
Primary aliphatic amine
Primary amine
Organic zwitterion
Organic salt
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:74823 )

Functional Ontology

Not Available

Feces (PMID: 27275383)

Source

Endogenous

Endogenous (HMDB: HMDB0029052)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	78 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-3.5	ChemAxon
logS	-0.42	ALOGPS
pKa (Strongest Acidic)	3.69	ChemAxon
pKa (Strongest Basic)	7.85	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	112.65 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	48.33 m³·mol⁻¹	ChemAxon
Polarizability	20.43 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0029052

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112058

KNApSAcK ID

Not Available

Chemspider ID

5383115

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7020158

PDB ID

Not Available

ChEBI ID

74823

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Serylvaline (CFc000010305)

MOL for CFc000010305 (Serylvaline)

3D MOL for CFc000010305 (Serylvaline)

3D SDF for CFc000010305 (Serylvaline)

3D-SDF for CFc000010305 (Serylvaline)

PDB for CFc000010305 (Serylvaline)

3D PDB for CFc000010305 (Serylvaline)

SMILES for CFc000010305 (Serylvaline)

INCHI for CFc000010305 (Serylvaline)

Structure for CFc000010305 (Serylvaline)

3D Structure for CFc000010305 (Serylvaline)